CID 142019164

C4H4BNS — CID 142019164

IUPAC—
SMILES[B]c1csc(C)n1
InChIInChI=1S/C4H4BNS/c1-3-6-4(5)2-7-3/h2H,1H3
InChIKeyZNJDKBXSOFGHDN-UHFFFAOYSA-N
MW108.96 g/mol
LogP0.25
Rot. Bonds

About CID 142019164

CID 142019164 (PubChem CID 142019164) has the molecular formula C4H4BNS and a molecular weight of 108.96 g/mol.

Molecular Properties

Compound NameCID 142019164
PubChem CID142019164
Molecular FormulaC4H4BNS
Molecular Weight108.96 g/mol
Exact Mass109.02
IUPAC Name—
SMILES[B]c1csc(C)n1
InChIInChI=1S/C4H4BNS/c1-3-6-4(5)2-7-3/h2H,1H3
InChIKeyZNJDKBXSOFGHDN-UHFFFAOYSA-N
XLogP0.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.96
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 142019164?
The IUPAC name of CID 142019164 (CID 142019164) is not available.
What is the SMILES notation for CID 142019164?
The canonical SMILES for CID 142019164 is [B]c1csc(C)n1.
What is the InChIKey of CID 142019164?
The InChIKey is ZNJDKBXSOFGHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BNS/c1-3-6-4(5)2-7-3/h2H,1H3.
What are the key properties of CID 142019164?
CID 142019164 has a molecular weight of 108.96 g/mol, XLogP of 0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142019164 is sourced from PubChem (CID 142019164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).